2-(2,6-dibromophenyl)butanoic acid

C10H10Br2O2 — CID 130134758

IUPAC2-(2,6-dibromophenyl)butanoic acid
SMILESCCC(C(=O)O)c1c(Br)cccc1Br
InChIInChI=1S/C10H10Br2O2/c1-2-6(10(13)14)9-7(11)4-3-5-8(9)12/h3-6H,2H2,1H3,(H,13,14)
InChIKeyVZQBLFZPSITABV-UHFFFAOYSA-N
MW322.00 g/mol
LogP3.79
Rot. Bonds3

About 2-(2,6-dibromophenyl)butanoic acid

2-(2,6-dibromophenyl)butanoic acid (PubChem CID 130134758) has the molecular formula C10H10Br2O2 and a molecular weight of 322.00 g/mol. Its IUPAC name is 2-(2,6-dibromophenyl)butanoic acid.

Molecular Properties

Compound Name2-(2,6-dibromophenyl)butanoic acid
PubChem CID130134758
Molecular FormulaC10H10Br2O2
Molecular Weight322.00 g/mol
Exact Mass319.90
IUPAC Name2-(2,6-dibromophenyl)butanoic acid
SMILESCCC(C(=O)O)c1c(Br)cccc1Br
InChIInChI=1S/C10H10Br2O2/c1-2-6(10(13)14)9-7(11)4-3-5-8(9)12/h3-6H,2H2,1H3,(H,13,14)
InChIKeyVZQBLFZPSITABV-UHFFFAOYSA-N
XLogP3.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.00
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-2-fluoro-6-hydroxyphenyl)butanoic acid
CID 84811131
(2R)-2-(4-bromophenyl)butanoic acid
CID 38988623
2-(2-bromo-6-hydroxy-4-methylphenyl)butanoic acid
CID 84809964
2-(2,6-dibromoanilino)butanoic acid
CID 107597732
2-(2-bromo-6-propanoylphenyl)-2-hydroxyacetic acid
CID 135741057
2-(2,3-dihydroxyphenyl)butanoic acid
CID 19428811
3-amino-2-[2-bromo-6-(trifluoromethyl)phenyl]propanoic acid
CID 117496566
2-[4-(2-bromophenyl)pyrimidin-2-yl]butanoic acid
CID 116903020
2-(2-methyl-1-benzofuran-3-yl)butanoic acid
CID 116987423
2-(3-sulfanylphenyl)butanoic acid
CID 22341621
2-(2-bromo-4,5-difluorophenyl)butanoic acid
CID 130134766
2-(3-(125I)iodophenyl)butanoic acid
CID 13147476

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dibromophenyl)butanoic acid?
The IUPAC name of 2-(2,6-dibromophenyl)butanoic acid (CID 130134758) is 2-(2,6-dibromophenyl)butanoic acid.
What is the SMILES notation for 2-(2,6-dibromophenyl)butanoic acid?
The canonical SMILES for 2-(2,6-dibromophenyl)butanoic acid is CCC(C(=O)O)c1c(Br)cccc1Br.
What is the InChIKey of 2-(2,6-dibromophenyl)butanoic acid?
The InChIKey is VZQBLFZPSITABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Br2O2/c1-2-6(10(13)14)9-7(11)4-3-5-8(9)12/h3-6H,2H2,1H3,(H,13,14).
What are the key properties of 2-(2,6-dibromophenyl)butanoic acid?
2-(2,6-dibromophenyl)butanoic acid has a molecular weight of 322.00 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dibromophenyl)butanoic acid is sourced from PubChem (CID 130134758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).